N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-oxidanyl-5-pyrrol-1-yl-benzamide

Systemtic Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-oxidanyl-5-pyrrol-1-yl-benzamide Openeye Name: N-[(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-(hydroxymethyl)-2-oxo-ethyl]-2-hydroxy-5-pyrrol-1-yl-benzamide CAS Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-2-hydroxy-5-(1-pyrrolyl)benzamide IUPAC Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-2-hydroxy-5-pyrrol-1-ylbenzamide Traditional Name: 2-hydroxy-N-[(1S)-2-keto-1-methylol-2-(piperonylamino)ethyl]-5-pyrrol-1-yl-benzamide Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CO)NC(=O)C3=C(C=CC(=C3)N4C=CC=C4)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)[C@H](CO)NC(=O)C3=C(C=CC(=C3)N4C=CC=C4)O

InChI

InChI=1S/C22H21N3O6/c26-12-17(22(29)23-11-14-3-6-19-20(9-14)31-13-30-19)24-21(28)16-10-15(4-5-18(16)27)25-7-1-2-8-25/h1-10,17,26-27H,11-13H2,(H,23,29)(H,24,28)/t17-/m0/s1